3PRK
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![BU of 3prk by Molmil](/molmil-images/mine/3prk) | INHIBITION OF PROTEINASE K BY METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE. AN X-RAY STUDY AT 2.2-ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE, PROTEINASE K | Authors: | Wolf, W.M, Bajorath, J, Mueller, A, Raghunathan, S, Singh, T.P, Hinrichs, W, Saenger, W. | Deposit date: | 1991-08-07 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibition of proteinase K by methoxysuccinyl-Ala-Ala-Pro-Ala-chloromethyl ketone. An x-ray study at 2.2-A resolution. J.Biol.Chem., 266, 1991
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4UUG
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![BU of 4uug by Molmil](/molmil-images/mine/4uug) | The (R)-selective amine transaminase from Aspergillus fumigatus with inhibitor bound | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, ... | Authors: | Thomsen, M, Hinrichs, W. | Deposit date: | 2014-07-28 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of the Dual Substrate Recognition of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus FEBS J., 282, 2015
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2JCG
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![BU of 2jcg by Molmil](/molmil-images/mine/2jcg) | Apo form of the catabolite control protein A (ccpA) from bacillus megaterium, with the DNA binding domain | Descriptor: | CALCIUM ION, GLUCOSE-RESISTANCE AMYLASE REGULATOR | Authors: | Singh, R.K, Panjikar, S, Palm, G.J, Hinrichs, W. | Deposit date: | 2006-12-22 | Release date: | 2007-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the Apo Form of the Catabolite Control Protein a (Ccpa) from Bacillus Megaterium with a DNA-Binding Domain. Acta Crystallogr.,Sect.F, 63, 2007
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4V2G
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![BU of 4v2g by Molmil](/molmil-images/mine/4v2g) | Tetracycline repressor TetR(D) bound to chlortetracycline and iso- chlortetracycline | Descriptor: | 7-CHLOROTETRACYCLINE, ISO-7-CHLORTETRACYCLINE, MAGNESIUM ION, ... | Authors: | Werten, S, Orth, P, Saenger, W, Hinrichs, W. | Deposit date: | 2014-10-09 | Release date: | 2014-12-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
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4V2F
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![BU of 4v2f by Molmil](/molmil-images/mine/4v2f) | Tetracycline repressor TetR(D), unliganded | Descriptor: | TETRACYCLINE REPRESSOR PROTEIN CLASS D | Authors: | Werten, S, Orth, P, Saenger, W, Hinrichs, W. | Deposit date: | 2014-10-09 | Release date: | 2014-12-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
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1A6I
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![BU of 1a6i by Molmil](/molmil-images/mine/1a6i) | TET REPRESSOR, CLASS D VARIANT | Descriptor: | TETRACYCLINE REPRESSOR PROTEIN CLASS D | Authors: | Orth, P, Cordes, F, Schnappinger, D, Hillen, W, Saenger, W, Hinrichs, W. | Deposit date: | 1998-02-25 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational changes of the Tet repressor induced by tetracycline trapping. J.Mol.Biol., 279, 1998
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7PT0
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![BU of 7pt0 by Molmil](/molmil-images/mine/7pt0) | SCO3201 with putative ligand | Descriptor: | SPERMIDINE, TetR family transcriptional regulator | Authors: | Werten, S, Palm, G.J, Hinrichs, W. | Deposit date: | 2021-09-25 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structures of free and ligand-bound forms of the TetR/AcrR-like regulator SCO3201 from Streptomyces coelicolor suggest a novel allosteric mechanism. Febs J., 290, 2023
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5A4O
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8QKB
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![BU of 8qkb by Molmil](/molmil-images/mine/8qkb) | Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777 | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-09-14 | Release date: | 2023-09-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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2PKC
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![BU of 2pkc by Molmil](/molmil-images/mine/2pkc) | CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION | Descriptor: | PROTEINASE K, SODIUM ION | Authors: | Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W. | Deposit date: | 1993-06-04 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of calcium-free proteinase K at 1.5-A resolution. J.Biol.Chem., 269, 1994
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1QPI
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![BU of 1qpi by Molmil](/molmil-images/mine/1qpi) | CRYSTAL STRUCTURE OF TETRACYCLINE REPRESSOR/OPERATOR COMPLEX | Descriptor: | DNA (5'-D(*CP*CP*TP*AP*TP*CP*AP*AP*TP*GP*AP*TP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*TP*CP*AP*TP*TP*GP*AP*TP*AP*GP*G)-3'), IMIDAZOLE, ... | Authors: | Orth, P, Schnappinger, D, Hillen, W, Saenger, W, Hinrichs, W. | Deposit date: | 1999-05-25 | Release date: | 2000-02-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of gene regulation by the tetracycline inducible Tet repressor-operator system. Nat.Struct.Biol., 7, 2000
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4V0T
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![BU of 4v0t by Molmil](/molmil-images/mine/4v0t) | Monomeric pseudorabies virus protease pUL26N at 2.1 A resolution | Descriptor: | UL26 | Authors: | Zuehlsdorf, M, Werten, S, Palm, G.J, Hinrichs, W. | Deposit date: | 2014-09-18 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin Pul26N, a Herpesvirus Serine Protease Plos Pathog., 11, 2015
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4V07
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![BU of 4v07 by Molmil](/molmil-images/mine/4v07) | Dimeric pseudorabies virus protease pUL26N at 2.1 A resolution | Descriptor: | CHLORIDE ION, MAGNESIUM ION, UL26 | Authors: | Zuehlsdorf, M, Werten, S, Palm, G.J, Hinrichs, W. | Deposit date: | 2014-09-11 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin Pul26N, a Herpesvirus Serine Protease Plos Pathog., 11, 2015
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1BJZ
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![BU of 1bjz by Molmil](/molmil-images/mine/1bjz) | |
7OFU
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![BU of 7ofu by Molmil](/molmil-images/mine/7ofu) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFS
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![BU of 7ofs by Molmil](/molmil-images/mine/7ofs) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | Descriptor: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFT
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![BU of 7oft by Molmil](/molmil-images/mine/7oft) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | Descriptor: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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4GUV
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![BU of 4guv by Molmil](/molmil-images/mine/4guv) | TetX derivatized with Xenon | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein, ... | Authors: | Volkers, G, Palm, G.J, Panjikar, S, Hinrichs, W. | Deposit date: | 2012-08-29 | Release date: | 2013-04-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX. Acta Crystallogr.,Sect.D, 69, 2013
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8R7M
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![BU of 8r7m by Molmil](/molmil-images/mine/8r7m) | CTX-M14 in complex with boric acid and 1,2-diol boric ester | Descriptor: | BORIC ACID, Beta-lactamase, GLYCEROL, ... | Authors: | Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C. | Deposit date: | 2023-11-26 | Release date: | 2024-01-17 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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2YH2
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![BU of 2yh2 by Molmil](/molmil-images/mine/2yh2) | Pyrobaculum calidifontis esterase monoclinic form | Descriptor: | ESTERASE, SULFATE ION | Authors: | Palm, G.J, Bogdanovic, X, Hinrichs, W. | Deposit date: | 2011-04-27 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of an Esterase Fom the Hyperthermophilic Microorganism Pyrobaculum Calidifontis Va1 Supports Explanation of its Enantioselectivity. Appl.Microbiol.Biotechnol., 91, 2011
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2Y6R
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![BU of 2y6r by Molmil](/molmil-images/mine/2y6r) | Structure of the TetX monooxygenase in complex with the substrate 7- chlortetracycline | Descriptor: | 7-CHLOROTETRACYCLINE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Volkers, G, Palm, G.J, Weiss, M.S, Wright, G.D, Hinrichs, W. | Deposit date: | 2011-01-25 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis for a New Tetracycline Resistance Mechanism Relying on the Tetx Monooxygenase. FEBS Lett., 585, 2011
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2Y6Q
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![BU of 2y6q by Molmil](/molmil-images/mine/2y6q) | Structure of the TetX monooxygenase in complex with the substrate 7- Iodtetracycline | Descriptor: | 7-IODOTETRACYCLINE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Volkers, G, Palm, G.J, Weiss, M.S, Wright, G.D, Hinrichs, W. | Deposit date: | 2011-01-25 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural Basis for a New Tetracycline Resistance Mechanism Relying on the Tetx Monooxygenase. FEBS Lett., 585, 2011
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2O7O
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![BU of 2o7o by Molmil](/molmil-images/mine/2o7o) | Crystal structure analysis of TetR(D) complex with doxycycline | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Aleksandrov, A, Proft, J, Hinrichs, W. | Deposit date: | 2006-12-11 | Release date: | 2007-05-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Protonation Patterns in Tetracycline:Tet Repressor Recognition: Simulations and Experiments Chembiochem, 8, 2007
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2VPR
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![BU of 2vpr by Molmil](/molmil-images/mine/2vpr) | Tet repressor class H in complex with 5a,6- anhydrotetracycline-Mg | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Schuldt, L, Palm, G, Hinrichs, W. | Deposit date: | 2008-03-03 | Release date: | 2008-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Tet Repressor Induction by Tetracycline: A Molecular Dynamics, Continuum Electrostatics, and Crystallographic Study J.Mol.Biol., 378, 2008
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2XB5
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![BU of 2xb5 by Molmil](/molmil-images/mine/2xb5) | Tet repressor (class D) in complex with 7-Iodotetracycline | Descriptor: | 7-IODOTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Kisker, C, Saenger, W, Hinrichs, W. | Deposit date: | 2010-04-05 | Release date: | 2010-10-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Tet repressor-tetracycline complex and regulation of antibiotic resistance. Science, 264, 1994
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